USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 490 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -120:sc= 1.16 USER MOD Single : A 24 ASN : amide:sc= -0.017 X(o=-0.017,f=-0.017) USER MOD Single : A 32 SER OG : rot -59:sc= 1.22 USER MOD Single : A 37 THR OG1 : rot -140:sc= -0.604 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -23:sc= 0.748 USER MOD Single : A 46 GLN : amide:sc= -8.88! C(o=-8.9!,f=-11!) USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 17:sc= 0.297 USER MOD Single : A 57 ASN :FLIP amide:sc= -0.626 F(o=-2!,f=-0.63) USER MOD Single : A 74 HIS : no HD1:sc= -2.74! C(o=-2.7!,f=-3.6!) USER MOD Single : A 82 ASN :FLIP amide:sc= -0.817 F(o=-2.6,f=-0.82) USER MOD Single : A 85 TYR OH : rot 156:sc= 1.38 USER MOD Single : A 88 ASN : amide:sc= -0.479 X(o=-0.48,f=-0.81) USER MOD ----------------------------------------------------------------- ATOM 194 N GLU A 15 13.162 -22.927 4.289 1.00 4.33 N ATOM 195 CA GLU A 15 12.268 -23.476 3.277 1.00 42.33 C ATOM 196 C GLU A 15 11.126 -24.253 3.924 1.00 72.54 C ATOM 197 O GLU A 15 10.932 -24.198 5.138 1.00 24.23 O ATOM 198 CB GLU A 15 13.042 -24.386 2.320 1.00 1.44 C ATOM 199 CG GLU A 15 12.874 -24.014 0.857 1.00 41.23 C ATOM 200 CD GLU A 15 14.179 -23.595 0.208 1.00 52.52 C ATOM 201 OE1 GLU A 15 14.821 -22.654 0.721 1.00 14.01 O ATOM 202 OE2 GLU A 15 14.558 -24.206 -0.813 1.00 20.04 O ATOM 0 HA GLU A 15 11.845 -22.645 2.713 1.00 42.33 H new ATOM 0 HB2 GLU A 15 14.101 -24.351 2.576 1.00 1.44 H new ATOM 0 HB3 GLU A 15 12.713 -25.415 2.465 1.00 1.44 H new ATOM 0 HG2 GLU A 15 12.460 -24.864 0.315 1.00 41.23 H new ATOM 0 HG3 GLU A 15 12.153 -23.201 0.773 1.00 41.23 H new ATOM 209 N TYR A 16 10.372 -24.977 3.103 1.00 30.05 N ATOM 210 CA TYR A 16 9.247 -25.764 3.594 1.00 12.11 C ATOM 211 C TYR A 16 9.260 -27.166 2.994 1.00 71.41 C ATOM 212 O TYR A 16 10.149 -27.512 2.216 1.00 64.22 O ATOM 213 CB TYR A 16 7.926 -25.067 3.261 1.00 24.04 C ATOM 214 CG TYR A 16 7.909 -24.424 1.893 1.00 2.21 C ATOM 215 CD1 TYR A 16 7.561 -25.156 0.764 1.00 13.54 C ATOM 216 CD2 TYR A 16 8.242 -23.085 1.729 1.00 64.13 C ATOM 217 CE1 TYR A 16 7.544 -24.572 -0.488 1.00 22.41 C ATOM 218 CE2 TYR A 16 8.227 -22.493 0.481 1.00 62.34 C ATOM 219 CZ TYR A 16 7.878 -23.241 -0.625 1.00 33.04 C ATOM 220 OH TYR A 16 7.863 -22.656 -1.870 1.00 12.42 O ATOM 0 H TYR A 16 10.520 -25.035 2.095 1.00 30.05 H new ATOM 0 HA TYR A 16 9.342 -25.851 4.676 1.00 12.11 H new ATOM 0 HB2 TYR A 16 7.116 -25.794 3.322 1.00 24.04 H new ATOM 0 HB3 TYR A 16 7.727 -24.305 4.014 1.00 24.04 H new ATOM 0 HD1 TYR A 16 7.299 -26.199 0.867 1.00 13.54 H new ATOM 0 HD2 TYR A 16 8.517 -22.497 2.592 1.00 64.13 H new ATOM 0 HE1 TYR A 16 7.271 -25.155 -1.355 1.00 22.41 H new ATOM 0 HE2 TYR A 16 8.487 -21.450 0.371 1.00 62.34 H new ATOM 0 HH TYR A 16 8.122 -21.714 -1.792 1.00 12.42 H new ATOM 230 N ILE A 17 8.267 -27.969 3.361 1.00 32.21 N ATOM 231 CA ILE A 17 8.162 -29.333 2.858 1.00 22.33 C ATOM 232 C ILE A 17 6.894 -29.519 2.033 1.00 75.30 C ATOM 233 O ILE A 17 5.794 -29.200 2.486 1.00 41.24 O ATOM 234 CB ILE A 17 8.169 -30.359 4.007 1.00 13.13 C ATOM 235 CG1 ILE A 17 7.816 -31.751 3.479 1.00 24.14 C ATOM 236 CG2 ILE A 17 7.195 -29.938 5.098 1.00 23.22 C ATOM 237 CD1 ILE A 17 7.943 -32.842 4.520 1.00 41.22 C ATOM 0 H ILE A 17 7.524 -27.698 4.005 1.00 32.21 H new ATOM 0 HA ILE A 17 9.033 -29.503 2.224 1.00 22.33 H new ATOM 0 HB ILE A 17 9.171 -30.397 4.435 1.00 13.13 H new ATOM 0 HG12 ILE A 17 6.794 -31.739 3.100 1.00 24.14 H new ATOM 0 HG13 ILE A 17 8.466 -31.987 2.636 1.00 24.14 H new ATOM 0 HG21 ILE A 17 7.211 -30.673 5.903 1.00 23.22 H new ATOM 0 HG22 ILE A 17 7.487 -28.964 5.490 1.00 23.22 H new ATOM 0 HG23 ILE A 17 6.189 -29.876 4.683 1.00 23.22 H new ATOM 0 HD11 ILE A 17 7.677 -33.801 4.076 1.00 41.22 H new ATOM 0 HD12 ILE A 17 8.970 -32.882 4.882 1.00 41.22 H new ATOM 0 HD13 ILE A 17 7.273 -32.630 5.353 1.00 41.22 H new ATOM 249 N ARG A 18 7.054 -30.040 0.821 1.00 52.44 N ATOM 250 CA ARG A 18 5.921 -30.269 -0.068 1.00 61.11 C ATOM 251 C ARG A 18 5.746 -31.758 -0.352 1.00 61.04 C ATOM 252 O ARG A 18 6.501 -32.346 -1.127 1.00 3.02 O ATOM 253 CB ARG A 18 6.113 -29.507 -1.381 1.00 21.41 C ATOM 254 CG ARG A 18 5.228 -28.278 -1.507 1.00 73.50 C ATOM 255 CD ARG A 18 4.496 -28.253 -2.840 1.00 65.21 C ATOM 256 NE ARG A 18 5.347 -27.765 -3.922 1.00 25.00 N ATOM 257 CZ ARG A 18 4.988 -27.775 -5.201 1.00 3.52 C ATOM 258 NH1 ARG A 18 3.800 -28.244 -5.556 1.00 24.22 N ATOM 259 NH2 ARG A 18 5.818 -27.313 -6.128 1.00 2.03 N ATOM 0 H ARG A 18 7.957 -30.312 0.432 1.00 52.44 H new ATOM 0 HA ARG A 18 5.022 -29.903 0.428 1.00 61.11 H new ATOM 0 HB2 ARG A 18 7.156 -29.203 -1.466 1.00 21.41 H new ATOM 0 HB3 ARG A 18 5.908 -30.179 -2.214 1.00 21.41 H new ATOM 0 HG2 ARG A 18 4.504 -28.265 -0.693 1.00 73.50 H new ATOM 0 HG3 ARG A 18 5.836 -27.379 -1.408 1.00 73.50 H new ATOM 0 HD2 ARG A 18 4.145 -29.257 -3.080 1.00 65.21 H new ATOM 0 HD3 ARG A 18 3.614 -27.618 -2.758 1.00 65.21 H new ATOM 0 HE ARG A 18 6.267 -27.396 -3.683 1.00 25.00 H new ATOM 0 HH11 ARG A 18 3.159 -28.598 -4.846 1.00 24.22 H new ATOM 0 HH12 ARG A 18 3.527 -28.250 -6.539 1.00 24.22 H new ATOM 0 HH21 ARG A 18 6.732 -26.950 -5.859 1.00 2.03 H new ATOM 0 HH22 ARG A 18 5.542 -27.321 -7.110 1.00 2.03 H new ATOM 273 N VAL A 19 4.745 -32.362 0.280 1.00 61.31 N ATOM 274 CA VAL A 19 4.470 -33.782 0.095 1.00 62.22 C ATOM 275 C VAL A 19 2.984 -34.080 0.260 1.00 23.42 C ATOM 276 O VAL A 19 2.232 -33.268 0.800 1.00 43.11 O ATOM 277 CB VAL A 19 5.269 -34.643 1.091 1.00 23.11 C ATOM 278 CG1 VAL A 19 6.727 -34.737 0.667 1.00 40.33 C ATOM 279 CG2 VAL A 19 5.150 -34.078 2.498 1.00 4.53 C ATOM 0 H VAL A 19 4.111 -31.890 0.925 1.00 61.31 H new ATOM 0 HA VAL A 19 4.778 -34.034 -0.920 1.00 62.22 H new ATOM 0 HB VAL A 19 4.850 -35.649 1.091 1.00 23.11 H new ATOM 0 HG11 VAL A 19 7.275 -35.349 1.383 1.00 40.33 H new ATOM 0 HG12 VAL A 19 6.790 -35.191 -0.322 1.00 40.33 H new ATOM 0 HG13 VAL A 19 7.162 -33.738 0.636 1.00 40.33 H new ATOM 0 HG21 VAL A 19 5.721 -34.699 3.189 1.00 4.53 H new ATOM 0 HG22 VAL A 19 5.541 -33.061 2.516 1.00 4.53 H new ATOM 0 HG23 VAL A 19 4.102 -34.069 2.799 1.00 4.53 H new ATOM 289 N THR A 20 2.566 -35.252 -0.208 1.00 33.45 N ATOM 290 CA THR A 20 1.169 -35.659 -0.112 1.00 43.44 C ATOM 291 C THR A 20 1.049 -37.113 0.328 1.00 74.15 C ATOM 292 O THR A 20 1.898 -37.942 0.002 1.00 50.44 O ATOM 293 CB THR A 20 0.439 -35.478 -1.457 1.00 30.44 C ATOM 294 OG1 THR A 20 -0.710 -36.331 -1.508 1.00 70.40 O ATOM 295 CG2 THR A 20 1.364 -35.795 -2.622 1.00 3.21 C ATOM 0 H THR A 20 3.175 -35.936 -0.657 1.00 33.45 H new ATOM 0 HA THR A 20 0.702 -35.018 0.636 1.00 43.44 H new ATOM 0 HB THR A 20 0.124 -34.438 -1.537 1.00 30.44 H new ATOM 0 HG1 THR A 20 -0.627 -36.946 -2.266 1.00 70.40 H new ATOM 0 HG21 THR A 20 0.826 -35.660 -3.561 1.00 3.21 H new ATOM 0 HG22 THR A 20 2.224 -35.125 -2.597 1.00 3.21 H new ATOM 0 HG23 THR A 20 1.706 -36.827 -2.545 1.00 3.21 H new ATOM 303 N GLU A 21 -0.012 -37.416 1.069 1.00 74.31 N ATOM 304 CA GLU A 21 -0.243 -38.772 1.553 1.00 22.31 C ATOM 305 C GLU A 21 -0.802 -39.659 0.444 1.00 44.44 C ATOM 306 O GLU A 21 -0.355 -40.790 0.254 1.00 44.01 O ATOM 307 CB GLU A 21 -1.206 -38.756 2.742 1.00 70.41 C ATOM 308 CG GLU A 21 -1.072 -39.967 3.650 1.00 21.02 C ATOM 309 CD GLU A 21 -2.339 -40.798 3.706 1.00 12.31 C ATOM 310 OE1 GLU A 21 -2.816 -41.077 4.826 1.00 2.13 O ATOM 311 OE2 GLU A 21 -2.854 -41.169 2.631 1.00 51.32 O ATOM 0 H GLU A 21 -0.725 -36.741 1.347 1.00 74.31 H new ATOM 0 HA GLU A 21 0.714 -39.183 1.875 1.00 22.31 H new ATOM 0 HB2 GLU A 21 -1.033 -37.853 3.327 1.00 70.41 H new ATOM 0 HB3 GLU A 21 -2.229 -38.703 2.370 1.00 70.41 H new ATOM 0 HG2 GLU A 21 -0.249 -40.590 3.300 1.00 21.02 H new ATOM 0 HG3 GLU A 21 -0.815 -39.635 4.656 1.00 21.02 H new ATOM 318 N ASP A 22 -1.782 -39.136 -0.285 1.00 65.35 N ATOM 319 CA ASP A 22 -2.402 -39.879 -1.377 1.00 1.24 C ATOM 320 C ASP A 22 -1.835 -39.441 -2.723 1.00 51.34 C ATOM 321 O ASP A 22 -1.650 -38.250 -2.971 1.00 53.33 O ATOM 322 CB ASP A 22 -3.918 -39.681 -1.359 1.00 35.01 C ATOM 323 CG ASP A 22 -4.644 -40.828 -0.683 1.00 10.33 C ATOM 324 OD1 ASP A 22 -4.679 -41.933 -1.263 1.00 41.04 O ATOM 325 OD2 ASP A 22 -5.176 -40.620 0.428 1.00 72.05 O ATOM 0 H ASP A 22 -2.164 -38.201 -0.140 1.00 65.35 H new ATOM 0 HA ASP A 22 -2.180 -40.937 -1.237 1.00 1.24 H new ATOM 0 HB2 ASP A 22 -4.154 -38.751 -0.842 1.00 35.01 H new ATOM 0 HB3 ASP A 22 -4.280 -39.578 -2.382 1.00 35.01 H new ATOM 330 N GLU A 23 -1.560 -40.412 -3.588 1.00 75.05 N ATOM 331 CA GLU A 23 -1.013 -40.125 -4.909 1.00 63.51 C ATOM 332 C GLU A 23 -1.998 -39.311 -5.742 1.00 12.31 C ATOM 333 O GLU A 23 -1.601 -38.460 -6.537 1.00 24.23 O ATOM 334 CB GLU A 23 -0.668 -41.427 -5.636 1.00 62.00 C ATOM 335 CG GLU A 23 -1.817 -42.420 -5.685 1.00 52.54 C ATOM 336 CD GLU A 23 -2.236 -42.757 -7.103 1.00 52.22 C ATOM 337 OE1 GLU A 23 -1.821 -43.822 -7.606 1.00 42.34 O ATOM 338 OE2 GLU A 23 -2.979 -41.957 -7.709 1.00 42.43 O ATOM 0 H GLU A 23 -1.707 -41.403 -3.398 1.00 75.05 H new ATOM 0 HA GLU A 23 -0.104 -39.538 -4.777 1.00 63.51 H new ATOM 0 HB2 GLU A 23 -0.357 -41.193 -6.654 1.00 62.00 H new ATOM 0 HB3 GLU A 23 0.184 -41.894 -5.142 1.00 62.00 H new ATOM 0 HG2 GLU A 23 -1.524 -43.335 -5.169 1.00 52.54 H new ATOM 0 HG3 GLU A 23 -2.671 -42.009 -5.146 1.00 52.54 H new ATOM 345 N ASN A 24 -3.286 -39.579 -5.553 1.00 53.32 N ATOM 346 CA ASN A 24 -4.330 -38.872 -6.287 1.00 45.23 C ATOM 347 C ASN A 24 -4.456 -37.431 -5.801 1.00 61.23 C ATOM 348 O ASN A 24 -4.863 -36.545 -6.553 1.00 21.11 O ATOM 349 CB ASN A 24 -5.670 -39.594 -6.132 1.00 43.42 C ATOM 350 CG ASN A 24 -6.835 -38.765 -6.639 1.00 25.13 C ATOM 351 OD1 ASN A 24 -7.605 -38.212 -5.854 1.00 30.12 O ATOM 352 ND2 ASN A 24 -6.968 -38.676 -7.957 1.00 31.21 N ATOM 0 H ASN A 24 -3.632 -40.280 -4.898 1.00 53.32 H new ATOM 0 HA ASN A 24 -4.053 -38.858 -7.341 1.00 45.23 H new ATOM 0 HB2 ASN A 24 -5.636 -40.538 -6.675 1.00 43.42 H new ATOM 0 HB3 ASN A 24 -5.830 -39.836 -5.081 1.00 43.42 H new ATOM 0 HD21 ASN A 24 -7.733 -38.132 -8.357 1.00 31.21 H new ATOM 0 HD22 ASN A 24 -6.305 -39.151 -8.570 1.00 31.21 H new ATOM 359 N ASP A 25 -4.104 -37.205 -4.541 1.00 23.04 N ATOM 360 CA ASP A 25 -4.176 -35.872 -3.954 1.00 3.11 C ATOM 361 C ASP A 25 -2.938 -35.054 -4.309 1.00 24.41 C ATOM 362 O ASP A 25 -1.866 -35.608 -4.554 1.00 34.14 O ATOM 363 CB ASP A 25 -4.321 -35.967 -2.434 1.00 63.23 C ATOM 364 CG ASP A 25 -5.683 -36.483 -2.014 1.00 10.20 C ATOM 365 OD1 ASP A 25 -6.111 -36.175 -0.881 1.00 63.24 O ATOM 366 OD2 ASP A 25 -6.322 -37.193 -2.818 1.00 20.22 O ATOM 0 H ASP A 25 -3.766 -37.928 -3.906 1.00 23.04 H new ATOM 0 HA ASP A 25 -5.052 -35.369 -4.364 1.00 3.11 H new ATOM 0 HB2 ASP A 25 -3.548 -36.626 -2.039 1.00 63.23 H new ATOM 0 HB3 ASP A 25 -4.157 -34.983 -1.994 1.00 63.23 H new ATOM 371 N GLU A 26 -3.094 -33.734 -4.336 1.00 23.44 N ATOM 372 CA GLU A 26 -1.988 -32.842 -4.663 1.00 12.42 C ATOM 373 C GLU A 26 -1.026 -32.712 -3.485 1.00 74.51 C ATOM 374 O GLU A 26 -1.389 -32.929 -2.328 1.00 43.55 O ATOM 375 CB GLU A 26 -2.518 -31.461 -5.057 1.00 22.23 C ATOM 376 CG GLU A 26 -3.063 -31.400 -6.474 1.00 3.13 C ATOM 377 CD GLU A 26 -3.584 -30.024 -6.839 1.00 54.21 C ATOM 378 OE1 GLU A 26 -4.168 -29.883 -7.935 1.00 4.24 O ATOM 379 OE2 GLU A 26 -3.410 -29.088 -6.031 1.00 24.43 O ATOM 0 H GLU A 26 -3.974 -33.259 -4.136 1.00 23.44 H new ATOM 0 HA GLU A 26 -1.446 -33.271 -5.506 1.00 12.42 H new ATOM 0 HB2 GLU A 26 -3.305 -31.171 -4.361 1.00 22.23 H new ATOM 0 HB3 GLU A 26 -1.716 -30.730 -4.953 1.00 22.23 H new ATOM 0 HG2 GLU A 26 -2.278 -31.685 -7.174 1.00 3.13 H new ATOM 0 HG3 GLU A 26 -3.866 -32.129 -6.582 1.00 3.13 H new ATOM 386 N PRO A 27 0.230 -32.352 -3.785 1.00 23.10 N ATOM 387 CA PRO A 27 1.271 -32.186 -2.766 1.00 13.12 C ATOM 388 C PRO A 27 1.028 -30.967 -1.883 1.00 14.24 C ATOM 389 O PRO A 27 1.172 -29.828 -2.328 1.00 5.24 O ATOM 390 CB PRO A 27 2.548 -32.003 -3.589 1.00 61.53 C ATOM 391 CG PRO A 27 2.082 -31.463 -4.897 1.00 11.43 C ATOM 392 CD PRO A 27 0.732 -32.078 -5.142 1.00 62.51 C ATOM 0 HA PRO A 27 1.308 -33.032 -2.080 1.00 13.12 H new ATOM 0 HB2 PRO A 27 3.239 -31.316 -3.100 1.00 61.53 H new ATOM 0 HB3 PRO A 27 3.076 -32.948 -3.716 1.00 61.53 H new ATOM 0 HG2 PRO A 27 2.016 -30.375 -4.869 1.00 11.43 H new ATOM 0 HG3 PRO A 27 2.778 -31.720 -5.695 1.00 11.43 H new ATOM 0 HD2 PRO A 27 0.074 -31.399 -5.684 1.00 62.51 H new ATOM 0 HD3 PRO A 27 0.807 -32.990 -5.734 1.00 62.51 H new ATOM 400 N ILE A 28 0.658 -31.213 -0.630 1.00 62.44 N ATOM 401 CA ILE A 28 0.397 -30.135 0.315 1.00 71.01 C ATOM 402 C ILE A 28 1.697 -29.558 0.864 1.00 63.20 C ATOM 403 O ILE A 28 2.655 -30.289 1.115 1.00 75.53 O ATOM 404 CB ILE A 28 -0.475 -30.615 1.490 1.00 70.40 C ATOM 405 CG1 ILE A 28 -0.750 -29.460 2.455 1.00 74.32 C ATOM 406 CG2 ILE A 28 0.202 -31.769 2.215 1.00 3.43 C ATOM 407 CD1 ILE A 28 -1.556 -28.338 1.839 1.00 12.23 C ATOM 0 H ILE A 28 0.532 -32.150 -0.246 1.00 62.44 H new ATOM 0 HA ILE A 28 -0.139 -29.360 -0.232 1.00 71.01 H new ATOM 0 HB ILE A 28 -1.428 -30.968 1.096 1.00 70.40 H new ATOM 0 HG12 ILE A 28 -1.282 -29.843 3.326 1.00 74.32 H new ATOM 0 HG13 ILE A 28 0.200 -29.061 2.812 1.00 74.32 H new ATOM 0 HG21 ILE A 28 -0.426 -32.097 3.043 1.00 3.43 H new ATOM 0 HG22 ILE A 28 0.351 -32.597 1.522 1.00 3.43 H new ATOM 0 HG23 ILE A 28 1.167 -31.440 2.600 1.00 3.43 H new ATOM 0 HD11 ILE A 28 -1.713 -27.554 2.580 1.00 12.23 H new ATOM 0 HD12 ILE A 28 -1.016 -27.928 0.985 1.00 12.23 H new ATOM 0 HD13 ILE A 28 -2.521 -28.722 1.507 1.00 12.23 H new ATOM 419 N GLU A 29 1.723 -28.242 1.050 1.00 73.12 N ATOM 420 CA GLU A 29 2.906 -27.567 1.571 1.00 71.54 C ATOM 421 C GLU A 29 2.753 -27.272 3.060 1.00 75.31 C ATOM 422 O GLU A 29 1.711 -26.787 3.503 1.00 22.00 O ATOM 423 CB GLU A 29 3.157 -26.267 0.805 1.00 42.21 C ATOM 424 CG GLU A 29 2.772 -26.341 -0.663 1.00 50.51 C ATOM 425 CD GLU A 29 1.409 -25.735 -0.940 1.00 24.32 C ATOM 426 OE1 GLU A 29 0.451 -26.507 -1.153 1.00 54.31 O ATOM 427 OE2 GLU A 29 1.302 -24.491 -0.943 1.00 72.33 O ATOM 0 H GLU A 29 0.939 -27.622 0.848 1.00 73.12 H new ATOM 0 HA GLU A 29 3.760 -28.230 1.436 1.00 71.54 H new ATOM 0 HB2 GLU A 29 2.596 -25.462 1.279 1.00 42.21 H new ATOM 0 HB3 GLU A 29 4.213 -26.008 0.882 1.00 42.21 H new ATOM 0 HG2 GLU A 29 3.524 -25.823 -1.258 1.00 50.51 H new ATOM 0 HG3 GLU A 29 2.774 -27.383 -0.983 1.00 50.51 H new ATOM 434 N ILE A 30 3.796 -27.569 3.826 1.00 25.23 N ATOM 435 CA ILE A 30 3.778 -27.335 5.265 1.00 64.50 C ATOM 436 C ILE A 30 4.994 -26.528 5.706 1.00 3.20 C ATOM 437 O ILE A 30 6.087 -26.653 5.154 1.00 65.23 O ATOM 438 CB ILE A 30 3.744 -28.660 6.050 1.00 14.01 C ATOM 439 CG1 ILE A 30 3.858 -29.848 5.093 1.00 34.53 C ATOM 440 CG2 ILE A 30 2.467 -28.755 6.872 1.00 73.22 C ATOM 441 CD1 ILE A 30 4.029 -31.176 5.797 1.00 34.50 C ATOM 0 H ILE A 30 4.665 -27.972 3.475 1.00 25.23 H new ATOM 0 HA ILE A 30 2.872 -26.770 5.481 1.00 64.50 H new ATOM 0 HB ILE A 30 4.594 -28.684 6.731 1.00 14.01 H new ATOM 0 HG12 ILE A 30 2.965 -29.889 4.469 1.00 34.53 H new ATOM 0 HG13 ILE A 30 4.705 -29.687 4.426 1.00 34.53 H new ATOM 0 HG21 ILE A 30 2.457 -29.696 7.421 1.00 73.22 H new ATOM 0 HG22 ILE A 30 2.425 -27.924 7.576 1.00 73.22 H new ATOM 0 HG23 ILE A 30 1.603 -28.713 6.209 1.00 73.22 H new ATOM 0 HD11 ILE A 30 4.103 -31.973 5.057 1.00 34.50 H new ATOM 0 HD12 ILE A 30 4.937 -31.154 6.399 1.00 34.50 H new ATOM 0 HD13 ILE A 30 3.170 -31.359 6.443 1.00 34.50 H new ATOM 453 N PRO A 31 4.802 -25.679 6.727 1.00 64.31 N ATOM 454 CA PRO A 31 5.873 -24.836 7.267 1.00 13.21 C ATOM 455 C PRO A 31 6.930 -25.645 8.011 1.00 74.55 C ATOM 456 O PRO A 31 6.661 -26.209 9.071 1.00 33.32 O ATOM 457 CB PRO A 31 5.137 -23.903 8.232 1.00 34.33 C ATOM 458 CG PRO A 31 3.916 -24.658 8.631 1.00 31.45 C ATOM 459 CD PRO A 31 3.526 -25.478 7.433 1.00 72.41 C ATOM 0 HA PRO A 31 6.417 -24.315 6.479 1.00 13.21 H new ATOM 0 HB2 PRO A 31 5.754 -23.662 9.098 1.00 34.33 H new ATOM 0 HB3 PRO A 31 4.880 -22.959 7.751 1.00 34.33 H new ATOM 0 HG2 PRO A 31 4.116 -25.296 9.492 1.00 31.45 H new ATOM 0 HG3 PRO A 31 3.113 -23.978 8.917 1.00 31.45 H new ATOM 0 HD2 PRO A 31 3.075 -26.426 7.725 1.00 72.41 H new ATOM 0 HD3 PRO A 31 2.799 -24.958 6.809 1.00 72.41 H new ATOM 467 N SER A 32 8.132 -25.698 7.447 1.00 24.44 N ATOM 468 CA SER A 32 9.229 -26.442 8.056 1.00 62.22 C ATOM 469 C SER A 32 10.090 -25.529 8.924 1.00 54.24 C ATOM 470 O SER A 32 9.778 -24.352 9.102 1.00 3.22 O ATOM 471 CB SER A 32 10.091 -27.097 6.975 1.00 72.34 C ATOM 472 OG SER A 32 11.207 -26.286 6.651 1.00 30.31 O ATOM 0 H SER A 32 8.371 -25.235 6.570 1.00 24.44 H new ATOM 0 HA SER A 32 8.800 -27.218 8.690 1.00 62.22 H new ATOM 0 HB2 SER A 32 10.434 -28.072 7.321 1.00 72.34 H new ATOM 0 HB3 SER A 32 9.491 -27.269 6.081 1.00 72.34 H new ATOM 0 HG SER A 32 10.896 -25.414 6.329 1.00 30.31 H new ATOM 478 N GLU A 33 11.173 -26.081 9.460 1.00 22.22 N ATOM 479 CA GLU A 33 12.078 -25.317 10.310 1.00 4.41 C ATOM 480 C GLU A 33 13.170 -24.648 9.480 1.00 63.54 C ATOM 481 O GLU A 33 13.279 -24.881 8.275 1.00 10.25 O ATOM 482 CB GLU A 33 12.710 -26.225 11.367 1.00 1.22 C ATOM 483 CG GLU A 33 12.713 -25.624 12.763 1.00 51.02 C ATOM 484 CD GLU A 33 12.688 -26.679 13.852 1.00 2.41 C ATOM 485 OE1 GLU A 33 13.777 -27.074 14.319 1.00 0.43 O ATOM 486 OE2 GLU A 33 11.581 -27.109 14.237 1.00 61.00 O ATOM 0 H GLU A 33 11.445 -27.054 9.321 1.00 22.22 H new ATOM 0 HA GLU A 33 11.498 -24.541 10.809 1.00 4.41 H new ATOM 0 HB2 GLU A 33 12.171 -27.172 11.390 1.00 1.22 H new ATOM 0 HB3 GLU A 33 13.736 -26.449 11.075 1.00 1.22 H new ATOM 0 HG2 GLU A 33 13.600 -25.002 12.885 1.00 51.02 H new ATOM 0 HG3 GLU A 33 11.848 -24.971 12.875 1.00 51.02 H new ATOM 493 N ASP A 34 13.976 -23.818 10.132 1.00 41.44 N ATOM 494 CA ASP A 34 15.060 -23.115 9.455 1.00 63.43 C ATOM 495 C ASP A 34 16.201 -24.071 9.119 1.00 32.31 C ATOM 496 O ASP A 34 16.847 -23.941 8.079 1.00 22.54 O ATOM 497 CB ASP A 34 15.578 -21.970 10.327 1.00 72.43 C ATOM 498 CG ASP A 34 15.995 -22.437 11.708 1.00 73.24 C ATOM 499 OD1 ASP A 34 17.209 -22.413 12.001 1.00 34.10 O ATOM 500 OD2 ASP A 34 15.107 -22.826 12.495 1.00 1.21 O ATOM 0 H ASP A 34 13.900 -23.615 11.129 1.00 41.44 H new ATOM 0 HA ASP A 34 14.668 -22.704 8.525 1.00 63.43 H new ATOM 0 HB2 ASP A 34 16.428 -21.498 9.834 1.00 72.43 H new ATOM 0 HB3 ASP A 34 14.802 -21.210 10.422 1.00 72.43 H new ATOM 505 N ASP A 35 16.443 -25.030 10.006 1.00 12.13 N ATOM 506 CA ASP A 35 17.506 -26.008 9.805 1.00 55.04 C ATOM 507 C ASP A 35 17.229 -26.865 8.573 1.00 34.03 C ATOM 508 O ASP A 35 18.138 -27.472 8.010 1.00 21.50 O ATOM 509 CB ASP A 35 17.649 -26.899 11.040 1.00 42.34 C ATOM 510 CG ASP A 35 19.098 -27.134 11.418 1.00 22.31 C ATOM 511 OD1 ASP A 35 19.428 -27.004 12.616 1.00 74.11 O ATOM 512 OD2 ASP A 35 19.903 -27.450 10.517 1.00 53.42 O ATOM 0 H ASP A 35 15.917 -25.151 10.872 1.00 12.13 H new ATOM 0 HA ASP A 35 18.439 -25.467 9.647 1.00 55.04 H new ATOM 0 HB2 ASP A 35 17.127 -26.439 11.879 1.00 42.34 H new ATOM 0 HB3 ASP A 35 17.165 -27.857 10.851 1.00 42.34 H new ATOM 517 N GLY A 36 15.965 -26.910 8.161 1.00 2.24 N ATOM 518 CA GLY A 36 15.591 -27.696 7.001 1.00 71.15 C ATOM 519 C GLY A 36 14.627 -28.815 7.344 1.00 0.50 C ATOM 520 O GLY A 36 13.800 -29.207 6.521 1.00 54.14 O ATOM 0 H GLY A 36 15.194 -26.416 8.610 1.00 2.24 H new ATOM 0 HA2 GLY A 36 15.135 -27.044 6.256 1.00 71.15 H new ATOM 0 HA3 GLY A 36 16.488 -28.119 6.548 1.00 71.15 H new ATOM 524 N THR A 37 14.734 -29.332 8.564 1.00 13.11 N ATOM 525 CA THR A 37 13.867 -30.414 9.014 1.00 40.21 C ATOM 526 C THR A 37 12.436 -29.927 9.209 1.00 53.21 C ATOM 527 O THR A 37 12.097 -28.801 8.843 1.00 30.21 O ATOM 528 CB THR A 37 14.373 -31.027 10.333 1.00 32.23 C ATOM 529 OG1 THR A 37 14.236 -30.080 11.398 1.00 12.32 O ATOM 530 CG2 THR A 37 15.828 -31.452 10.210 1.00 43.14 C ATOM 0 H THR A 37 15.413 -29.019 9.258 1.00 13.11 H new ATOM 0 HA THR A 37 13.885 -31.178 8.236 1.00 40.21 H new ATOM 0 HB THR A 37 13.771 -31.909 10.552 1.00 32.23 H new ATOM 0 HG1 THR A 37 15.021 -30.129 11.982 1.00 12.32 H new ATOM 0 HG21 THR A 37 16.163 -31.882 11.154 1.00 43.14 H new ATOM 0 HG22 THR A 37 15.924 -32.195 9.419 1.00 43.14 H new ATOM 0 HG23 THR A 37 16.442 -30.584 9.969 1.00 43.14 H new ATOM 538 N VAL A 38 11.598 -30.781 9.788 1.00 25.34 N ATOM 539 CA VAL A 38 10.203 -30.437 10.034 1.00 42.01 C ATOM 540 C VAL A 38 9.760 -30.893 11.420 1.00 44.52 C ATOM 541 O VAL A 38 9.997 -32.035 11.815 1.00 0.10 O ATOM 542 CB VAL A 38 9.275 -31.067 8.978 1.00 45.32 C ATOM 543 CG1 VAL A 38 7.817 -30.883 9.370 1.00 4.20 C ATOM 544 CG2 VAL A 38 9.547 -30.468 7.606 1.00 12.30 C ATOM 0 H VAL A 38 11.862 -31.717 10.096 1.00 25.34 H new ATOM 0 HA VAL A 38 10.129 -29.351 9.971 1.00 42.01 H new ATOM 0 HB VAL A 38 9.480 -32.136 8.930 1.00 45.32 H new ATOM 0 HG11 VAL A 38 7.177 -31.334 8.612 1.00 4.20 H new ATOM 0 HG12 VAL A 38 7.635 -31.363 10.331 1.00 4.20 H new ATOM 0 HG13 VAL A 38 7.593 -29.819 9.448 1.00 4.20 H new ATOM 0 HG21 VAL A 38 8.883 -30.924 6.872 1.00 12.30 H new ATOM 0 HG22 VAL A 38 9.370 -29.393 7.637 1.00 12.30 H new ATOM 0 HG23 VAL A 38 10.583 -30.657 7.325 1.00 12.30 H new ATOM 554 N LEU A 39 9.116 -29.993 12.154 1.00 10.43 N ATOM 555 CA LEU A 39 8.638 -30.302 13.498 1.00 44.44 C ATOM 556 C LEU A 39 7.494 -31.309 13.450 1.00 22.24 C ATOM 557 O LEU A 39 6.576 -31.185 12.638 1.00 3.15 O ATOM 558 CB LEU A 39 8.180 -29.024 14.203 1.00 34.45 C ATOM 559 CG LEU A 39 8.745 -28.792 15.605 1.00 35.23 C ATOM 560 CD1 LEU A 39 8.278 -27.453 16.154 1.00 41.33 C ATOM 561 CD2 LEU A 39 8.338 -29.923 16.538 1.00 34.43 C ATOM 0 H LEU A 39 8.912 -29.043 11.842 1.00 10.43 H new ATOM 0 HA LEU A 39 9.462 -30.743 14.059 1.00 44.44 H new ATOM 0 HB2 LEU A 39 8.449 -28.172 13.579 1.00 34.45 H new ATOM 0 HB3 LEU A 39 7.092 -29.039 14.269 1.00 34.45 H new ATOM 0 HG LEU A 39 9.833 -28.775 15.539 1.00 35.23 H new ATOM 0 HD11 LEU A 39 8.690 -27.305 17.152 1.00 41.33 H new ATOM 0 HD12 LEU A 39 8.619 -26.652 15.498 1.00 41.33 H new ATOM 0 HD13 LEU A 39 7.189 -27.441 16.205 1.00 41.33 H new ATOM 0 HD21 LEU A 39 8.749 -29.741 17.531 1.00 34.43 H new ATOM 0 HD22 LEU A 39 7.251 -29.971 16.598 1.00 34.43 H new ATOM 0 HD23 LEU A 39 8.722 -30.868 16.154 1.00 34.43 H new ATOM 573 N LEU A 40 7.554 -32.306 14.327 1.00 51.41 N ATOM 574 CA LEU A 40 6.521 -33.334 14.387 1.00 23.33 C ATOM 575 C LEU A 40 5.131 -32.708 14.434 1.00 22.31 C ATOM 576 O LEU A 40 4.219 -33.145 13.733 1.00 71.15 O ATOM 577 CB LEU A 40 6.733 -34.226 15.612 1.00 0.01 C ATOM 578 CG LEU A 40 5.969 -35.551 15.618 1.00 3.40 C ATOM 579 CD1 LEU A 40 4.489 -35.312 15.869 1.00 15.03 C ATOM 580 CD2 LEU A 40 6.177 -36.292 14.305 1.00 13.32 C ATOM 0 H LEU A 40 8.306 -32.424 15.005 1.00 51.41 H new ATOM 0 HA LEU A 40 6.595 -33.942 13.485 1.00 23.33 H new ATOM 0 HB2 LEU A 40 7.798 -34.443 15.699 1.00 0.01 H new ATOM 0 HB3 LEU A 40 6.449 -33.662 16.501 1.00 0.01 H new ATOM 0 HG LEU A 40 6.358 -36.170 16.427 1.00 3.40 H new ATOM 0 HD11 LEU A 40 3.961 -36.266 15.870 1.00 15.03 H new ATOM 0 HD12 LEU A 40 4.358 -34.824 16.835 1.00 15.03 H new ATOM 0 HD13 LEU A 40 4.085 -34.675 15.083 1.00 15.03 H new ATOM 0 HD21 LEU A 40 5.626 -37.232 14.327 1.00 13.32 H new ATOM 0 HD22 LEU A 40 5.815 -35.679 13.480 1.00 13.32 H new ATOM 0 HD23 LEU A 40 7.239 -36.496 14.167 1.00 13.32 H new ATOM 592 N SER A 41 4.978 -31.681 15.264 1.00 72.41 N ATOM 593 CA SER A 41 3.698 -30.996 15.403 1.00 4.34 C ATOM 594 C SER A 41 3.154 -30.578 14.041 1.00 65.15 C ATOM 595 O SER A 41 1.945 -30.590 13.811 1.00 74.33 O ATOM 596 CB SER A 41 3.849 -29.768 16.303 1.00 4.40 C ATOM 597 OG SER A 41 3.338 -30.020 17.600 1.00 14.42 O ATOM 0 H SER A 41 5.724 -31.305 15.850 1.00 72.41 H new ATOM 0 HA SER A 41 2.991 -31.689 15.860 1.00 4.34 H new ATOM 0 HB2 SER A 41 4.901 -29.490 16.371 1.00 4.40 H new ATOM 0 HB3 SER A 41 3.324 -28.922 15.860 1.00 4.40 H new ATOM 0 HG SER A 41 3.448 -29.220 18.156 1.00 14.42 H new ATOM 603 N THR A 42 4.058 -30.208 13.138 1.00 73.12 N ATOM 604 CA THR A 42 3.670 -29.785 11.798 1.00 65.30 C ATOM 605 C THR A 42 3.183 -30.967 10.968 1.00 61.22 C ATOM 606 O THR A 42 2.250 -30.839 10.175 1.00 32.42 O ATOM 607 CB THR A 42 4.841 -29.105 11.063 1.00 12.55 C ATOM 608 OG1 THR A 42 5.451 -28.127 11.914 1.00 71.31 O ATOM 609 CG2 THR A 42 4.362 -28.440 9.781 1.00 21.43 C ATOM 0 H THR A 42 5.063 -30.193 13.311 1.00 73.12 H new ATOM 0 HA THR A 42 2.858 -29.068 11.916 1.00 65.30 H new ATOM 0 HB THR A 42 5.573 -29.870 10.805 1.00 12.55 H new ATOM 0 HG1 THR A 42 6.195 -27.700 11.441 1.00 71.31 H new ATOM 0 HG21 THR A 42 5.206 -27.967 9.279 1.00 21.43 H new ATOM 0 HG22 THR A 42 3.924 -29.191 9.123 1.00 21.43 H new ATOM 0 HG23 THR A 42 3.613 -27.686 10.021 1.00 21.43 H new ATOM 617 N VAL A 43 3.820 -32.119 11.155 1.00 2.20 N ATOM 618 CA VAL A 43 3.450 -33.325 10.424 1.00 11.13 C ATOM 619 C VAL A 43 2.045 -33.784 10.797 1.00 55.51 C ATOM 620 O VAL A 43 1.277 -34.228 9.943 1.00 52.15 O ATOM 621 CB VAL A 43 4.441 -34.472 10.696 1.00 62.13 C ATOM 622 CG1 VAL A 43 3.788 -35.818 10.421 1.00 25.31 C ATOM 623 CG2 VAL A 43 5.698 -34.299 9.857 1.00 44.11 C ATOM 0 H VAL A 43 4.595 -32.242 11.807 1.00 2.20 H new ATOM 0 HA VAL A 43 3.478 -33.074 9.364 1.00 11.13 H new ATOM 0 HB VAL A 43 4.726 -34.442 11.748 1.00 62.13 H new ATOM 0 HG11 VAL A 43 4.503 -36.617 10.619 1.00 25.31 H new ATOM 0 HG12 VAL A 43 2.920 -35.940 11.068 1.00 25.31 H new ATOM 0 HG13 VAL A 43 3.473 -35.863 9.379 1.00 25.31 H new ATOM 0 HG21 VAL A 43 6.388 -35.118 10.062 1.00 44.11 H new ATOM 0 HG22 VAL A 43 5.433 -34.303 8.800 1.00 44.11 H new ATOM 0 HG23 VAL A 43 6.175 -33.352 10.108 1.00 44.11 H new ATOM 633 N THR A 44 1.712 -33.673 12.079 1.00 2.44 N ATOM 634 CA THR A 44 0.399 -34.076 12.566 1.00 22.23 C ATOM 635 C THR A 44 -0.684 -33.117 12.086 1.00 0.14 C ATOM 636 O THR A 44 -1.843 -33.502 11.931 1.00 4.54 O ATOM 637 CB THR A 44 0.366 -34.141 14.105 1.00 63.40 C ATOM 638 OG1 THR A 44 0.595 -32.839 14.655 1.00 22.55 O ATOM 639 CG2 THR A 44 1.416 -35.110 14.628 1.00 32.51 C ATOM 0 H THR A 44 2.334 -33.307 12.799 1.00 2.44 H new ATOM 0 HA THR A 44 0.204 -35.070 12.163 1.00 22.23 H new ATOM 0 HB THR A 44 -0.618 -34.496 14.411 1.00 63.40 H new ATOM 0 HG1 THR A 44 1.070 -32.286 14.000 1.00 22.55 H new ATOM 0 HG21 THR A 44 1.374 -35.139 15.717 1.00 32.51 H new ATOM 0 HG22 THR A 44 1.222 -36.106 14.230 1.00 32.51 H new ATOM 0 HG23 THR A 44 2.405 -34.780 14.312 1.00 32.51 H new ATOM 647 N ALA A 45 -0.299 -31.867 11.852 1.00 11.41 N ATOM 648 CA ALA A 45 -1.238 -30.853 11.387 1.00 44.01 C ATOM 649 C ALA A 45 -2.058 -31.364 10.208 1.00 73.52 C ATOM 650 O ALA A 45 -3.282 -31.232 10.188 1.00 4.41 O ATOM 651 CB ALA A 45 -0.494 -29.582 11.003 1.00 33.02 C ATOM 0 H ALA A 45 0.656 -31.532 11.977 1.00 11.41 H new ATOM 0 HA ALA A 45 -1.925 -30.627 12.203 1.00 44.01 H new ATOM 0 HB1 ALA A 45 -1.207 -28.833 10.658 1.00 33.02 H new ATOM 0 HB2 ALA A 45 0.043 -29.199 11.871 1.00 33.02 H new ATOM 0 HB3 ALA A 45 0.215 -29.803 10.205 1.00 33.02 H new ATOM 657 N GLN A 46 -1.377 -31.948 9.227 1.00 22.55 N ATOM 658 CA GLN A 46 -2.044 -32.478 8.044 1.00 32.33 C ATOM 659 C GLN A 46 -2.115 -34.001 8.095 1.00 1.11 C ATOM 660 O GLN A 46 -3.096 -34.602 7.658 1.00 35.11 O ATOM 661 CB GLN A 46 -1.313 -32.032 6.777 1.00 5.13 C ATOM 662 CG GLN A 46 -0.639 -30.676 6.910 1.00 44.22 C ATOM 663 CD GLN A 46 0.106 -30.269 5.653 1.00 15.43 C ATOM 664 OE1 GLN A 46 -0.023 -29.139 5.180 1.00 33.12 O ATOM 665 NE2 GLN A 46 0.890 -31.189 5.105 1.00 3.13 N ATOM 0 H GLN A 46 -0.364 -32.066 9.228 1.00 22.55 H new ATOM 0 HA GLN A 46 -3.061 -32.086 8.025 1.00 32.33 H new ATOM 0 HB2 GLN A 46 -0.562 -32.778 6.519 1.00 5.13 H new ATOM 0 HB3 GLN A 46 -2.023 -31.996 5.951 1.00 5.13 H new ATOM 0 HG2 GLN A 46 -1.391 -29.922 7.142 1.00 44.22 H new ATOM 0 HG3 GLN A 46 0.057 -30.701 7.748 1.00 44.22 H new ATOM 0 HE21 GLN A 46 0.967 -32.113 5.531 1.00 3.13 H new ATOM 0 HE22 GLN A 46 1.416 -30.972 4.258 1.00 3.13 H new ATOM 674 N PHE A 47 -1.068 -34.619 8.631 1.00 62.41 N ATOM 675 CA PHE A 47 -1.010 -36.073 8.738 1.00 54.43 C ATOM 676 C PHE A 47 -1.053 -36.513 10.198 1.00 14.21 C ATOM 677 O PHE A 47 -0.040 -36.881 10.792 1.00 43.01 O ATOM 678 CB PHE A 47 0.259 -36.604 8.070 1.00 24.51 C ATOM 679 CG PHE A 47 0.671 -35.822 6.856 1.00 5.32 C ATOM 680 CD1 PHE A 47 -0.246 -35.529 5.860 1.00 62.21 C ATOM 681 CD2 PHE A 47 1.976 -35.379 6.711 1.00 4.24 C ATOM 682 CE1 PHE A 47 0.130 -34.809 4.742 1.00 51.33 C ATOM 683 CE2 PHE A 47 2.358 -34.658 5.596 1.00 52.42 C ATOM 684 CZ PHE A 47 1.434 -34.373 4.609 1.00 32.32 C ATOM 0 H PHE A 47 -0.248 -34.136 8.998 1.00 62.41 H new ATOM 0 HA PHE A 47 -1.880 -36.485 8.227 1.00 54.43 H new ATOM 0 HB2 PHE A 47 1.074 -36.591 8.794 1.00 24.51 H new ATOM 0 HB3 PHE A 47 0.102 -37.644 7.786 1.00 24.51 H new ATOM 0 HD1 PHE A 47 -1.267 -35.867 5.958 1.00 62.21 H new ATOM 0 HD2 PHE A 47 2.703 -35.600 7.479 1.00 4.24 H new ATOM 0 HE1 PHE A 47 -0.595 -34.587 3.973 1.00 51.33 H new ATOM 0 HE2 PHE A 47 3.378 -34.317 5.496 1.00 52.42 H new ATOM 0 HZ PHE A 47 1.731 -33.811 3.736 1.00 32.32 H new ATOM 694 N PRO A 48 -2.255 -36.474 10.792 1.00 13.11 N ATOM 695 CA PRO A 48 -2.461 -36.865 12.190 1.00 44.11 C ATOM 696 C PRO A 48 -2.295 -38.366 12.402 1.00 14.12 C ATOM 697 O PRO A 48 -2.890 -39.173 11.689 1.00 51.31 O ATOM 698 CB PRO A 48 -3.905 -36.441 12.468 1.00 21.33 C ATOM 699 CG PRO A 48 -4.566 -36.448 11.133 1.00 22.32 C ATOM 700 CD PRO A 48 -3.507 -36.046 10.145 1.00 43.43 C ATOM 0 HA PRO A 48 -1.732 -36.402 12.855 1.00 44.11 H new ATOM 0 HB2 PRO A 48 -4.395 -37.131 13.156 1.00 21.33 H new ATOM 0 HB3 PRO A 48 -3.946 -35.452 12.925 1.00 21.33 H new ATOM 0 HG2 PRO A 48 -4.963 -37.436 10.899 1.00 22.32 H new ATOM 0 HG3 PRO A 48 -5.406 -35.753 11.110 1.00 22.32 H new ATOM 0 HD2 PRO A 48 -3.649 -36.536 9.182 1.00 43.43 H new ATOM 0 HD3 PRO A 48 -3.517 -34.972 9.960 1.00 43.43 H new ATOM 708 N GLY A 49 -1.483 -38.734 13.389 1.00 53.33 N ATOM 709 CA GLY A 49 -1.255 -40.138 13.677 1.00 11.42 C ATOM 710 C GLY A 49 -0.044 -40.689 12.952 1.00 63.03 C ATOM 711 O GLY A 49 0.603 -41.621 13.429 1.00 51.10 O ATOM 0 H GLY A 49 -0.979 -38.085 13.994 1.00 53.33 H new ATOM 0 HA2 GLY A 49 -1.122 -40.269 14.751 1.00 11.42 H new ATOM 0 HA3 GLY A 49 -2.137 -40.712 13.393 1.00 11.42 H new ATOM 715 N ALA A 50 0.264 -40.113 11.794 1.00 75.30 N ATOM 716 CA ALA A 50 1.405 -40.553 11.002 1.00 43.35 C ATOM 717 C ALA A 50 2.672 -40.609 11.848 1.00 21.45 C ATOM 718 O ALA A 50 3.100 -39.600 12.410 1.00 21.43 O ATOM 719 CB ALA A 50 1.606 -39.630 9.809 1.00 44.23 C ATOM 0 H ALA A 50 -0.261 -39.341 11.384 1.00 75.30 H new ATOM 0 HA ALA A 50 1.197 -41.559 10.639 1.00 43.35 H new ATOM 0 HB1 ALA A 50 2.462 -39.970 9.226 1.00 44.23 H new ATOM 0 HB2 ALA A 50 0.713 -39.643 9.184 1.00 44.23 H new ATOM 0 HB3 ALA A 50 1.788 -38.615 10.161 1.00 44.23 H new ATOM 725 N CYS A 51 3.267 -41.794 11.936 1.00 13.13 N ATOM 726 CA CYS A 51 4.485 -41.982 12.717 1.00 75.13 C ATOM 727 C CYS A 51 5.723 -41.761 11.854 1.00 73.31 C ATOM 728 O CYS A 51 6.734 -41.241 12.323 1.00 22.51 O ATOM 729 CB CYS A 51 4.515 -43.386 13.323 1.00 15.34 C ATOM 730 SG CYS A 51 5.406 -43.493 14.893 1.00 13.50 S ATOM 0 H CYS A 51 2.926 -42.638 11.477 1.00 13.13 H new ATOM 0 HA CYS A 51 4.489 -41.247 13.522 1.00 75.13 H new ATOM 0 HB2 CYS A 51 3.491 -43.727 13.475 1.00 15.34 H new ATOM 0 HB3 CYS A 51 4.975 -44.069 12.609 1.00 15.34 H new ATOM 0 HG CYS A 51 5.375 -44.718 15.327 1.00 13.50 H new ATOM 736 N GLY A 52 5.636 -42.162 10.589 1.00 14.00 N ATOM 737 CA GLY A 52 6.756 -42.001 9.681 1.00 22.11 C ATOM 738 C GLY A 52 6.314 -41.749 8.253 1.00 20.52 C ATOM 739 O GLY A 52 5.258 -42.221 7.830 1.00 33.21 O ATOM 0 H GLY A 52 4.810 -42.595 10.177 1.00 14.00 H new ATOM 0 HA2 GLY A 52 7.376 -41.170 10.018 1.00 22.11 H new ATOM 0 HA3 GLY A 52 7.377 -42.896 9.713 1.00 22.11 H new ATOM 743 N LEU A 53 7.122 -41.003 7.508 1.00 31.14 N ATOM 744 CA LEU A 53 6.808 -40.688 6.119 1.00 14.42 C ATOM 745 C LEU A 53 7.828 -41.314 5.174 1.00 2.22 C ATOM 746 O LEU A 53 9.022 -41.357 5.474 1.00 75.02 O ATOM 747 CB LEU A 53 6.770 -39.172 5.916 1.00 41.13 C ATOM 748 CG LEU A 53 6.026 -38.370 6.984 1.00 44.50 C ATOM 749 CD1 LEU A 53 4.777 -39.110 7.435 1.00 62.41 C ATOM 750 CD2 LEU A 53 6.938 -38.087 8.169 1.00 11.52 C ATOM 0 H LEU A 53 8.000 -40.605 7.843 1.00 31.14 H new ATOM 0 HA LEU A 53 5.827 -41.104 5.891 1.00 14.42 H new ATOM 0 HB2 LEU A 53 7.796 -38.807 5.865 1.00 41.13 H new ATOM 0 HB3 LEU A 53 6.310 -38.966 4.950 1.00 41.13 H new ATOM 0 HG LEU A 53 5.721 -37.418 6.549 1.00 44.50 H new ATOM 0 HD11 LEU A 53 4.261 -38.523 8.195 1.00 62.41 H new ATOM 0 HD12 LEU A 53 4.115 -39.261 6.582 1.00 62.41 H new ATOM 0 HD13 LEU A 53 5.058 -40.077 7.852 1.00 62.41 H new ATOM 0 HD21 LEU A 53 6.392 -37.515 8.920 1.00 11.52 H new ATOM 0 HD22 LEU A 53 7.273 -39.029 8.603 1.00 11.52 H new ATOM 0 HD23 LEU A 53 7.802 -37.514 7.834 1.00 11.52 H new ATOM 762 N ARG A 54 7.351 -41.796 4.031 1.00 31.15 N ATOM 763 CA ARG A 54 8.222 -42.419 3.042 1.00 12.10 C ATOM 764 C ARG A 54 8.429 -41.498 1.843 1.00 12.23 C ATOM 765 O ARG A 54 7.720 -40.504 1.681 1.00 33.31 O ATOM 766 CB ARG A 54 7.631 -43.752 2.579 1.00 43.25 C ATOM 767 CG ARG A 54 8.665 -44.856 2.425 1.00 0.52 C ATOM 768 CD ARG A 54 8.620 -45.472 1.036 1.00 51.12 C ATOM 769 NE ARG A 54 8.765 -46.925 1.076 1.00 5.54 N ATOM 770 CZ ARG A 54 7.772 -47.755 1.374 1.00 1.32 C ATOM 771 NH1 ARG A 54 6.567 -47.278 1.655 1.00 23.14 N ATOM 772 NH2 ARG A 54 7.983 -49.065 1.391 1.00 51.45 N ATOM 0 H ARG A 54 6.366 -41.767 3.767 1.00 31.15 H new ATOM 0 HA ARG A 54 9.190 -42.601 3.510 1.00 12.10 H new ATOM 0 HB2 ARG A 54 6.874 -44.072 3.295 1.00 43.25 H new ATOM 0 HB3 ARG A 54 7.125 -43.604 1.625 1.00 43.25 H new ATOM 0 HG2 ARG A 54 9.660 -44.453 2.613 1.00 0.52 H new ATOM 0 HG3 ARG A 54 8.488 -45.629 3.173 1.00 0.52 H new ATOM 0 HD2 ARG A 54 7.676 -45.215 0.556 1.00 51.12 H new ATOM 0 HD3 ARG A 54 9.415 -45.045 0.424 1.00 51.12 H new ATOM 0 HE ARG A 54 9.679 -47.324 0.863 1.00 5.54 H new ATOM 0 HH11 ARG A 54 6.401 -46.272 1.643 1.00 23.14 H new ATOM 0 HH12 ARG A 54 5.806 -47.917 1.884 1.00 23.14 H new ATOM 0 HH21 ARG A 54 8.909 -49.435 1.175 1.00 51.45 H new ATOM 0 HH22 ARG A 54 7.220 -49.702 1.620 1.00 51.45 H new ATOM 786 N TYR A 55 9.405 -41.834 1.007 1.00 34.11 N ATOM 787 CA TYR A 55 9.707 -41.036 -0.175 1.00 40.10 C ATOM 788 C TYR A 55 9.195 -41.719 -1.439 1.00 60.24 C ATOM 789 O TYR A 55 9.485 -42.890 -1.687 1.00 5.32 O ATOM 790 CB TYR A 55 11.214 -40.799 -0.284 1.00 62.35 C ATOM 791 CG TYR A 55 11.610 -39.346 -0.154 1.00 1.14 C ATOM 792 CD1 TYR A 55 11.128 -38.392 -1.042 1.00 3.14 C ATOM 793 CD2 TYR A 55 12.466 -38.927 0.857 1.00 45.21 C ATOM 794 CE1 TYR A 55 11.488 -37.063 -0.926 1.00 53.15 C ATOM 795 CE2 TYR A 55 12.830 -37.600 0.981 1.00 40.14 C ATOM 796 CZ TYR A 55 12.338 -36.672 0.086 1.00 3.24 C ATOM 797 OH TYR A 55 12.699 -35.349 0.205 1.00 23.34 O ATOM 0 H TYR A 55 10.000 -42.654 1.126 1.00 34.11 H new ATOM 0 HA TYR A 55 9.201 -40.076 -0.073 1.00 40.10 H new ATOM 0 HB2 TYR A 55 11.721 -41.375 0.490 1.00 62.35 H new ATOM 0 HB3 TYR A 55 11.564 -41.178 -1.244 1.00 62.35 H new ATOM 0 HD1 TYR A 55 10.461 -38.694 -1.836 1.00 3.14 H new ATOM 0 HD2 TYR A 55 12.854 -39.651 1.558 1.00 45.21 H new ATOM 0 HE1 TYR A 55 11.105 -36.334 -1.625 1.00 53.15 H new ATOM 0 HE2 TYR A 55 13.495 -37.291 1.773 1.00 40.14 H new ATOM 0 HH TYR A 55 12.080 -34.793 -0.313 1.00 23.34 H new ATOM 807 N ARG A 56 8.432 -40.979 -2.236 1.00 54.24 N ATOM 808 CA ARG A 56 7.878 -41.512 -3.475 1.00 50.03 C ATOM 809 C ARG A 56 8.176 -40.582 -4.648 1.00 74.41 C ATOM 810 O ARG A 56 7.469 -39.600 -4.869 1.00 74.33 O ATOM 811 CB ARG A 56 6.367 -41.712 -3.339 1.00 43.54 C ATOM 812 CG ARG A 56 5.653 -41.877 -4.671 1.00 33.24 C ATOM 813 CD ARG A 56 6.293 -42.969 -5.514 1.00 54.43 C ATOM 814 NE ARG A 56 5.628 -43.123 -6.806 1.00 12.25 N ATOM 815 CZ ARG A 56 5.842 -44.146 -7.625 1.00 20.32 C ATOM 816 NH1 ARG A 56 6.698 -45.101 -7.288 1.00 62.14 N ATOM 817 NH2 ARG A 56 5.199 -44.216 -8.783 1.00 74.41 N ATOM 0 H ARG A 56 8.183 -40.008 -2.046 1.00 54.24 H new ATOM 0 HA ARG A 56 8.349 -42.476 -3.669 1.00 50.03 H new ATOM 0 HB2 ARG A 56 6.179 -42.592 -2.724 1.00 43.54 H new ATOM 0 HB3 ARG A 56 5.942 -40.858 -2.812 1.00 43.54 H new ATOM 0 HG2 ARG A 56 4.605 -42.118 -4.496 1.00 33.24 H new ATOM 0 HG3 ARG A 56 5.676 -40.934 -5.217 1.00 33.24 H new ATOM 0 HD2 ARG A 56 7.345 -42.734 -5.674 1.00 54.43 H new ATOM 0 HD3 ARG A 56 6.256 -43.914 -4.972 1.00 54.43 H new ATOM 0 HE ARG A 56 4.963 -42.405 -7.095 1.00 12.25 H new ATOM 0 HH11 ARG A 56 7.194 -45.051 -6.398 1.00 62.14 H new ATOM 0 HH12 ARG A 56 6.861 -45.886 -7.919 1.00 62.14 H new ATOM 0 HH21 ARG A 56 4.539 -43.483 -9.045 1.00 74.41 H new ATOM 0 HH22 ARG A 56 5.364 -45.002 -9.411 1.00 74.41 H new ATOM 831 N ASN A 57 9.227 -40.900 -5.396 1.00 43.11 N ATOM 832 CA ASN A 57 9.619 -40.093 -6.546 1.00 3.33 C ATOM 833 C ASN A 57 9.379 -40.849 -7.849 1.00 3.02 C ATOM 834 O ASN A 57 10.021 -41.860 -8.136 1.00 54.10 O ATOM 835 CB ASN A 57 11.093 -39.695 -6.438 1.00 31.44 C ATOM 836 CG ASN A 57 11.310 -38.532 -5.489 1.00 61.30 C ATOM 837 OD1 ASN A 57 11.303 -37.319 -6.029 1.00 11.41 O flip ATOM 838 ND2 ASN A 57 11.482 -38.723 -4.285 1.00 71.23 N flip ATOM 0 H ASN A 57 9.823 -41.711 -5.227 1.00 43.11 H new ATOM 0 HA ASN A 57 9.006 -39.192 -6.552 1.00 3.33 H new ATOM 0 HB2 ASN A 57 11.674 -40.552 -6.097 1.00 31.44 H new ATOM 0 HB3 ASN A 57 11.468 -39.429 -7.426 1.00 31.44 H new ATOM 0 HD21 ASN A 57 11.480 -39.673 -3.914 1.00 71.23 H new ATOM 0 HD22 ASN A 57 11.627 -37.931 -3.659 1.00 71.23 H new ATOM 962 N VAL A 66 12.035 -40.295 4.157 1.00 34.32 N ATOM 963 CA VAL A 66 12.177 -39.174 5.078 1.00 33.14 C ATOM 964 C VAL A 66 12.651 -39.645 6.449 1.00 73.44 C ATOM 965 O VAL A 66 11.965 -40.414 7.123 1.00 2.44 O ATOM 966 CB VAL A 66 10.849 -38.410 5.241 1.00 4.14 C ATOM 967 CG1 VAL A 66 10.987 -37.319 6.293 1.00 75.42 C ATOM 968 CG2 VAL A 66 10.405 -37.825 3.909 1.00 11.14 C ATOM 0 HA VAL A 66 12.923 -38.505 4.649 1.00 33.14 H new ATOM 0 HB VAL A 66 10.085 -39.111 5.577 1.00 4.14 H new ATOM 0 HG11 VAL A 66 10.040 -36.790 6.395 1.00 75.42 H new ATOM 0 HG12 VAL A 66 11.257 -37.768 7.249 1.00 75.42 H new ATOM 0 HG13 VAL A 66 11.764 -36.617 5.990 1.00 75.42 H new ATOM 0 HG21 VAL A 66 9.465 -37.289 4.042 1.00 11.14 H new ATOM 0 HG22 VAL A 66 11.167 -37.137 3.542 1.00 11.14 H new ATOM 0 HG23 VAL A 66 10.264 -38.629 3.187 1.00 11.14 H new ATOM 978 N ARG A 67 13.827 -39.179 6.854 1.00 65.40 N ATOM 979 CA ARG A 67 14.394 -39.554 8.144 1.00 1.21 C ATOM 980 C ARG A 67 13.619 -38.905 9.287 1.00 3.51 C ATOM 981 O ARG A 67 13.200 -37.750 9.191 1.00 64.24 O ATOM 982 CB ARG A 67 15.867 -39.146 8.216 1.00 71.22 C ATOM 983 CG ARG A 67 16.499 -39.384 9.577 1.00 21.53 C ATOM 984 CD ARG A 67 16.594 -40.868 9.895 1.00 20.54 C ATOM 985 NE ARG A 67 16.300 -41.147 11.299 1.00 62.35 N ATOM 986 CZ ARG A 67 16.641 -42.276 11.910 1.00 30.05 C ATOM 987 NH1 ARG A 67 17.284 -43.226 11.246 1.00 25.02 N ATOM 988 NH2 ARG A 67 16.339 -42.456 13.190 1.00 55.01 N ATOM 0 H ARG A 67 14.406 -38.541 6.308 1.00 65.40 H new ATOM 0 HA ARG A 67 14.319 -40.637 8.245 1.00 1.21 H new ATOM 0 HB2 ARG A 67 16.426 -39.701 7.463 1.00 71.22 H new ATOM 0 HB3 ARG A 67 15.955 -38.089 7.964 1.00 71.22 H new ATOM 0 HG2 ARG A 67 17.495 -38.941 9.599 1.00 21.53 H new ATOM 0 HG3 ARG A 67 15.910 -38.883 10.345 1.00 21.53 H new ATOM 0 HD2 ARG A 67 15.898 -41.420 9.262 1.00 20.54 H new ATOM 0 HD3 ARG A 67 17.595 -41.227 9.656 1.00 20.54 H new ATOM 0 HE ARG A 67 15.806 -40.436 11.839 1.00 62.35 H new ATOM 0 HH11 ARG A 67 17.519 -43.091 10.263 1.00 25.02 H new ATOM 0 HH12 ARG A 67 17.544 -44.092 11.719 1.00 25.02 H new ATOM 0 HH21 ARG A 67 15.845 -41.727 13.705 1.00 55.01 H new ATOM 0 HH22 ARG A 67 16.601 -43.323 13.659 1.00 55.01 H new ATOM 1002 N LEU A 68 13.432 -39.653 10.368 1.00 31.51 N ATOM 1003 CA LEU A 68 12.707 -39.152 11.530 1.00 11.43 C ATOM 1004 C LEU A 68 13.527 -39.332 12.804 1.00 63.15 C ATOM 1005 O LEU A 68 13.864 -40.453 13.184 1.00 30.40 O ATOM 1006 CB LEU A 68 11.364 -39.872 11.669 1.00 45.33 C ATOM 1007 CG LEU A 68 10.557 -39.551 12.927 1.00 42.30 C ATOM 1008 CD1 LEU A 68 11.007 -40.425 14.087 1.00 2.43 C ATOM 1009 CD2 LEU A 68 10.689 -38.077 13.284 1.00 23.30 C ATOM 0 H LEU A 68 13.773 -40.610 10.464 1.00 31.51 H new ATOM 0 HA LEU A 68 12.528 -38.087 11.383 1.00 11.43 H new ATOM 0 HB2 LEU A 68 10.754 -39.631 10.799 1.00 45.33 H new ATOM 0 HB3 LEU A 68 11.546 -40.946 11.643 1.00 45.33 H new ATOM 0 HG LEU A 68 9.507 -39.763 12.726 1.00 42.30 H new ATOM 0 HD11 LEU A 68 10.422 -40.182 14.974 1.00 2.43 H new ATOM 0 HD12 LEU A 68 10.860 -41.474 13.831 1.00 2.43 H new ATOM 0 HD13 LEU A 68 12.063 -40.246 14.289 1.00 2.43 H new ATOM 0 HD21 LEU A 68 10.108 -37.867 14.182 1.00 23.30 H new ATOM 0 HD22 LEU A 68 11.737 -37.839 13.466 1.00 23.30 H new ATOM 0 HD23 LEU A 68 10.317 -37.468 12.460 1.00 23.30 H new ATOM 1021 N VAL A 69 13.844 -38.220 13.460 1.00 64.33 N ATOM 1022 CA VAL A 69 14.622 -38.256 14.692 1.00 3.43 C ATOM 1023 C VAL A 69 14.031 -37.322 15.742 1.00 2.42 C ATOM 1024 O VAL A 69 13.847 -36.131 15.494 1.00 55.35 O ATOM 1025 CB VAL A 69 16.091 -37.864 14.441 1.00 55.22 C ATOM 1026 CG1 VAL A 69 16.170 -36.549 13.680 1.00 34.00 C ATOM 1027 CG2 VAL A 69 16.851 -37.775 15.756 1.00 75.04 C ATOM 0 H VAL A 69 13.574 -37.284 13.159 1.00 64.33 H new ATOM 0 HA VAL A 69 14.585 -39.282 15.059 1.00 3.43 H new ATOM 0 HB VAL A 69 16.556 -38.638 13.831 1.00 55.22 H new ATOM 0 HG11 VAL A 69 17.215 -36.288 13.512 1.00 34.00 H new ATOM 0 HG12 VAL A 69 15.663 -36.653 12.721 1.00 34.00 H new ATOM 0 HG13 VAL A 69 15.689 -35.763 14.261 1.00 34.00 H new ATOM 0 HG21 VAL A 69 17.887 -37.497 15.560 1.00 75.04 H new ATOM 0 HG22 VAL A 69 16.388 -37.022 16.394 1.00 75.04 H new ATOM 0 HG23 VAL A 69 16.824 -38.742 16.258 1.00 75.04 H new ATOM 1037 N GLU A 70 13.737 -37.871 16.917 1.00 51.34 N ATOM 1038 CA GLU A 70 13.166 -37.086 18.005 1.00 40.53 C ATOM 1039 C GLU A 70 11.856 -36.431 17.574 1.00 23.24 C ATOM 1040 O GLU A 70 11.468 -35.389 18.101 1.00 60.32 O ATOM 1041 CB GLU A 70 14.157 -36.014 18.465 1.00 60.33 C ATOM 1042 CG GLU A 70 15.522 -36.568 18.837 1.00 43.33 C ATOM 1043 CD GLU A 70 15.816 -36.449 20.320 1.00 51.54 C ATOM 1044 OE1 GLU A 70 15.898 -37.497 20.994 1.00 43.25 O ATOM 1045 OE2 GLU A 70 15.963 -35.308 20.806 1.00 31.01 O ATOM 0 H GLU A 70 13.885 -38.855 17.139 1.00 51.34 H new ATOM 0 HA GLU A 70 12.959 -37.761 18.836 1.00 40.53 H new ATOM 0 HB2 GLU A 70 14.277 -35.277 17.671 1.00 60.33 H new ATOM 0 HB3 GLU A 70 13.740 -35.490 19.325 1.00 60.33 H new ATOM 0 HG2 GLU A 70 15.577 -37.616 18.543 1.00 43.33 H new ATOM 0 HG3 GLU A 70 16.291 -36.038 18.274 1.00 43.33 H new ATOM 1052 N GLY A 71 11.180 -37.051 16.612 1.00 33.33 N ATOM 1053 CA GLY A 71 9.922 -36.515 16.126 1.00 34.44 C ATOM 1054 C GLY A 71 10.109 -35.551 14.972 1.00 5.22 C ATOM 1055 O GLY A 71 9.214 -35.381 14.145 1.00 54.12 O ATOM 0 H GLY A 71 11.481 -37.915 16.161 1.00 33.33 H new ATOM 0 HA2 GLY A 71 9.279 -37.336 15.809 1.00 34.44 H new ATOM 0 HA3 GLY A 71 9.409 -36.005 16.941 1.00 34.44 H new ATOM 1059 N ILE A 72 11.276 -34.917 14.917 1.00 12.31 N ATOM 1060 CA ILE A 72 11.577 -33.964 13.856 1.00 3.21 C ATOM 1061 C ILE A 72 11.976 -34.680 12.570 1.00 34.44 C ATOM 1062 O ILE A 72 13.005 -35.354 12.516 1.00 62.53 O ATOM 1063 CB ILE A 72 12.709 -33.003 14.267 1.00 71.31 C ATOM 1064 CG1 ILE A 72 12.312 -32.218 15.519 1.00 53.04 C ATOM 1065 CG2 ILE A 72 13.041 -32.056 13.124 1.00 54.13 C ATOM 1066 CD1 ILE A 72 13.222 -32.465 16.701 1.00 1.21 C ATOM 0 H ILE A 72 12.028 -35.046 15.594 1.00 12.31 H new ATOM 0 HA ILE A 72 10.668 -33.389 13.682 1.00 3.21 H new ATOM 0 HB ILE A 72 13.598 -33.590 14.496 1.00 71.31 H new ATOM 0 HG12 ILE A 72 12.314 -31.153 15.286 1.00 53.04 H new ATOM 0 HG13 ILE A 72 11.291 -32.482 15.795 1.00 53.04 H new ATOM 0 HG21 ILE A 72 13.842 -31.383 13.430 1.00 54.13 H new ATOM 0 HG22 ILE A 72 13.362 -32.632 12.256 1.00 54.13 H new ATOM 0 HG23 ILE A 72 12.157 -31.473 12.866 1.00 54.13 H new ATOM 0 HD11 ILE A 72 12.881 -31.876 17.552 1.00 1.21 H new ATOM 0 HD12 ILE A 72 13.202 -33.523 16.961 1.00 1.21 H new ATOM 0 HD13 ILE A 72 14.240 -32.174 16.443 1.00 1.21 H new ATOM 1078 N LEU A 73 11.155 -34.529 11.537 1.00 71.21 N ATOM 1079 CA LEU A 73 11.422 -35.160 10.249 1.00 30.41 C ATOM 1080 C LEU A 73 12.574 -34.466 9.531 1.00 44.22 C ATOM 1081 O LEU A 73 12.463 -33.306 9.133 1.00 0.43 O ATOM 1082 CB LEU A 73 10.168 -35.130 9.374 1.00 52.51 C ATOM 1083 CG LEU A 73 9.062 -36.116 9.751 1.00 13.40 C ATOM 1084 CD1 LEU A 73 9.597 -37.539 9.765 1.00 42.14 C ATOM 1085 CD2 LEU A 73 8.465 -35.755 11.104 1.00 74.54 C ATOM 0 H LEU A 73 10.299 -33.975 11.566 1.00 71.21 H new ATOM 0 HA LEU A 73 11.705 -36.197 10.432 1.00 30.41 H new ATOM 0 HB2 LEU A 73 9.754 -34.122 9.402 1.00 52.51 H new ATOM 0 HB3 LEU A 73 10.464 -35.324 8.343 1.00 52.51 H new ATOM 0 HG LEU A 73 8.274 -36.054 9.000 1.00 13.40 H new ATOM 0 HD11 LEU A 73 8.795 -38.226 10.035 1.00 42.14 H new ATOM 0 HD12 LEU A 73 9.976 -37.795 8.776 1.00 42.14 H new ATOM 0 HD13 LEU A 73 10.404 -37.617 10.494 1.00 42.14 H new ATOM 0 HD21 LEU A 73 7.679 -36.467 11.357 1.00 74.54 H new ATOM 0 HD22 LEU A 73 9.244 -35.788 11.866 1.00 74.54 H new ATOM 0 HD23 LEU A 73 8.044 -34.751 11.060 1.00 74.54 H new ATOM 1097 N HIS A 74 13.681 -35.184 9.366 1.00 52.14 N ATOM 1098 CA HIS A 74 14.854 -34.637 8.692 1.00 35.40 C ATOM 1099 C HIS A 74 14.743 -34.812 7.180 1.00 33.55 C ATOM 1100 O HIS A 74 14.149 -35.777 6.700 1.00 64.44 O ATOM 1101 CB HIS A 74 16.124 -35.316 9.204 1.00 63.10 C ATOM 1102 CG HIS A 74 17.198 -34.352 9.605 1.00 64.25 C ATOM 1103 ND1 HIS A 74 17.733 -33.419 8.741 1.00 35.11 N ATOM 1104 CD2 HIS A 74 17.837 -34.179 10.785 1.00 10.24 C ATOM 1105 CE1 HIS A 74 18.654 -32.715 9.373 1.00 44.21 C ATOM 1106 NE2 HIS A 74 18.737 -33.156 10.615 1.00 11.33 N ATOM 0 H HIS A 74 13.790 -36.145 9.689 1.00 52.14 H new ATOM 0 HA HIS A 74 14.906 -33.571 8.913 1.00 35.40 H new ATOM 0 HB2 HIS A 74 15.872 -35.943 10.059 1.00 63.10 H new ATOM 0 HB3 HIS A 74 16.511 -35.977 8.428 1.00 63.10 H new ATOM 0 HD2 HIS A 74 17.670 -34.741 11.692 1.00 10.24 H new ATOM 0 HE1 HIS A 74 19.240 -31.914 8.947 1.00 44.21 H new ATOM 0 HE2 HIS A 74 19.367 -32.795 11.331 1.00 11.33 H new ATOM 1114 N ALA A 75 15.317 -33.872 6.437 1.00 30.40 N ATOM 1115 CA ALA A 75 15.284 -33.924 4.981 1.00 54.33 C ATOM 1116 C ALA A 75 16.572 -34.519 4.423 1.00 51.03 C ATOM 1117 O ALA A 75 17.622 -34.500 5.065 1.00 42.42 O ATOM 1118 CB ALA A 75 15.051 -32.533 4.409 1.00 65.02 C ATOM 0 H ALA A 75 15.810 -33.065 6.819 1.00 30.40 H new ATOM 0 HA ALA A 75 14.458 -34.571 4.684 1.00 54.33 H new ATOM 0 HB1 ALA A 75 15.029 -32.586 3.321 1.00 65.02 H new ATOM 0 HB2 ALA A 75 14.100 -32.145 4.773 1.00 65.02 H new ATOM 0 HB3 ALA A 75 15.858 -31.871 4.723 1.00 65.02 H new ATOM 1124 N PRO A 76 16.492 -35.062 3.199 1.00 42.12 N ATOM 1125 CA PRO A 76 17.643 -35.673 2.528 1.00 61.53 C ATOM 1126 C PRO A 76 18.686 -34.642 2.109 1.00 35.23 C ATOM 1127 O PRO A 76 18.573 -33.462 2.441 1.00 21.04 O ATOM 1128 CB PRO A 76 17.023 -36.338 1.296 1.00 45.34 C ATOM 1129 CG PRO A 76 15.781 -35.560 1.030 1.00 10.35 C ATOM 1130 CD PRO A 76 15.273 -35.120 2.376 1.00 74.14 C ATOM 0 HA PRO A 76 18.175 -36.365 3.181 1.00 61.53 H new ATOM 0 HB2 PRO A 76 17.702 -36.304 0.444 1.00 45.34 H new ATOM 0 HB3 PRO A 76 16.800 -37.388 1.483 1.00 45.34 H new ATOM 0 HG2 PRO A 76 15.987 -34.702 0.391 1.00 10.35 H new ATOM 0 HG3 PRO A 76 15.041 -36.171 0.514 1.00 10.35 H new ATOM 0 HD2 PRO A 76 14.779 -34.150 2.321 1.00 74.14 H new ATOM 0 HD3 PRO A 76 14.548 -35.825 2.782 1.00 74.14 H new ATOM 1138 N ASP A 77 19.699 -35.095 1.379 1.00 54.31 N ATOM 1139 CA ASP A 77 20.761 -34.210 0.914 1.00 73.44 C ATOM 1140 C ASP A 77 20.304 -33.404 -0.298 1.00 65.04 C ATOM 1141 O ASP A 77 21.045 -32.567 -0.814 1.00 30.21 O ATOM 1142 CB ASP A 77 22.010 -35.020 0.562 1.00 1.33 C ATOM 1143 CG ASP A 77 22.823 -35.390 1.787 1.00 21.30 C ATOM 1144 OD1 ASP A 77 23.927 -35.950 1.620 1.00 71.53 O ATOM 1145 OD2 ASP A 77 22.356 -35.119 2.913 1.00 61.51 O ATOM 0 H ASP A 77 19.807 -36.069 1.096 1.00 54.31 H new ATOM 0 HA ASP A 77 21.002 -33.516 1.719 1.00 73.44 H new ATOM 0 HB2 ASP A 77 21.715 -35.929 0.037 1.00 1.33 H new ATOM 0 HB3 ASP A 77 22.632 -34.444 -0.123 1.00 1.33 H new ATOM 1150 N ALA A 78 19.081 -33.663 -0.749 1.00 1.15 N ATOM 1151 CA ALA A 78 18.526 -32.961 -1.899 1.00 0.31 C ATOM 1152 C ALA A 78 17.425 -31.995 -1.474 1.00 2.11 C ATOM 1153 O ALA A 78 17.172 -30.994 -2.143 1.00 11.25 O ATOM 1154 CB ALA A 78 17.993 -33.957 -2.918 1.00 54.41 C ATOM 0 H ALA A 78 18.456 -34.354 -0.335 1.00 1.15 H new ATOM 0 HA ALA A 78 19.325 -32.380 -2.359 1.00 0.31 H new ATOM 0 HB1 ALA A 78 17.581 -33.419 -3.772 1.00 54.41 H new ATOM 0 HB2 ALA A 78 18.804 -34.604 -3.253 1.00 54.41 H new ATOM 0 HB3 ALA A 78 17.211 -34.563 -2.460 1.00 54.41 H new ATOM 1160 N GLY A 79 16.773 -32.303 -0.357 1.00 14.11 N ATOM 1161 CA GLY A 79 15.706 -31.452 0.137 1.00 33.43 C ATOM 1162 C GLY A 79 14.363 -32.155 0.151 1.00 71.42 C ATOM 1163 O GLY A 79 14.269 -33.334 -0.190 1.00 72.45 O ATOM 0 H GLY A 79 16.964 -33.126 0.214 1.00 14.11 H new ATOM 0 HA2 GLY A 79 15.949 -31.119 1.146 1.00 33.43 H new ATOM 0 HA3 GLY A 79 15.639 -30.560 -0.486 1.00 33.43 H new ATOM 1167 N TRP A 80 13.322 -31.432 0.547 1.00 3.22 N ATOM 1168 CA TRP A 80 11.978 -31.995 0.605 1.00 11.44 C ATOM 1169 C TRP A 80 11.436 -32.256 -0.796 1.00 11.35 C ATOM 1170 O TRP A 80 11.094 -33.387 -1.138 1.00 53.31 O ATOM 1171 CB TRP A 80 11.040 -31.051 1.361 1.00 63.41 C ATOM 1172 CG TRP A 80 11.325 -30.982 2.831 1.00 60.43 C ATOM 1173 CD1 TRP A 80 11.694 -29.877 3.543 1.00 30.10 C ATOM 1174 CD2 TRP A 80 11.266 -32.064 3.767 1.00 71.12 C ATOM 1175 NE1 TRP A 80 11.868 -30.207 4.866 1.00 52.44 N ATOM 1176 CE2 TRP A 80 11.610 -31.542 5.029 1.00 4.00 C ATOM 1177 CE3 TRP A 80 10.954 -33.422 3.662 1.00 35.13 C ATOM 1178 CZ2 TRP A 80 11.652 -32.332 6.175 1.00 53.22 C ATOM 1179 CZ3 TRP A 80 10.995 -34.205 4.800 1.00 3.34 C ATOM 1180 CH2 TRP A 80 11.341 -33.658 6.043 1.00 24.13 C ATOM 0 H TRP A 80 13.383 -30.455 0.833 1.00 3.22 H new ATOM 0 HA TRP A 80 12.031 -32.945 1.136 1.00 11.44 H new ATOM 0 HB2 TRP A 80 11.122 -30.051 0.935 1.00 63.41 H new ATOM 0 HB3 TRP A 80 10.011 -31.377 1.213 1.00 63.41 H new ATOM 0 HD1 TRP A 80 11.829 -28.889 3.128 1.00 30.10 H new ATOM 0 HE1 TRP A 80 12.144 -29.562 5.606 1.00 52.44 H new ATOM 0 HE3 TRP A 80 10.686 -33.852 2.708 1.00 35.13 H new ATOM 0 HZ2 TRP A 80 11.920 -31.913 7.134 1.00 53.22 H new ATOM 0 HZ3 TRP A 80 10.756 -35.256 4.730 1.00 3.34 H new ATOM 0 HH2 TRP A 80 11.363 -34.296 6.914 1.00 24.13 H new ATOM 1191 N GLY A 81 11.361 -31.202 -1.603 1.00 14.44 N ATOM 1192 CA GLY A 81 10.859 -31.339 -2.957 1.00 61.14 C ATOM 1193 C GLY A 81 9.347 -31.264 -3.026 1.00 73.43 C ATOM 1194 O GLY A 81 8.696 -30.829 -2.077 1.00 44.12 O ATOM 0 H GLY A 81 11.639 -30.256 -1.343 1.00 14.44 H new ATOM 0 HA2 GLY A 81 11.287 -30.554 -3.581 1.00 61.14 H new ATOM 0 HA3 GLY A 81 11.191 -32.292 -3.370 1.00 61.14 H new ATOM 1198 N ASN A 82 8.786 -31.689 -4.154 1.00 34.12 N ATOM 1199 CA ASN A 82 7.340 -31.666 -4.344 1.00 32.23 C ATOM 1200 C ASN A 82 6.827 -33.035 -4.782 1.00 11.33 C ATOM 1201 O ASN A 82 5.873 -33.134 -5.554 1.00 74.42 O ATOM 1202 CB ASN A 82 6.958 -30.610 -5.382 1.00 54.43 C ATOM 1203 CG ASN A 82 7.887 -29.412 -5.357 1.00 51.51 C ATOM 1204 OD1 ASN A 82 8.100 -28.853 -4.171 1.00 2.44 O flip ATOM 1205 ND2 ASN A 82 8.407 -28.994 -6.392 1.00 53.12 N flip ATOM 0 H ASN A 82 9.310 -32.053 -4.950 1.00 34.12 H new ATOM 0 HA ASN A 82 6.877 -31.412 -3.390 1.00 32.23 H new ATOM 0 HB2 ASN A 82 6.974 -31.058 -6.375 1.00 54.43 H new ATOM 0 HB3 ASN A 82 5.936 -30.278 -5.199 1.00 54.43 H new ATOM 0 HD21 ASN A 82 8.215 -29.455 -7.281 1.00 53.12 H new ATOM 0 HD22 ASN A 82 9.030 -28.187 -6.360 1.00 53.12 H new ATOM 1212 N LEU A 83 7.466 -34.087 -4.283 1.00 30.10 N ATOM 1213 CA LEU A 83 7.075 -35.451 -4.622 1.00 34.14 C ATOM 1214 C LEU A 83 6.024 -35.974 -3.647 1.00 25.21 C ATOM 1215 O LEU A 83 5.564 -35.248 -2.765 1.00 61.44 O ATOM 1216 CB LEU A 83 8.297 -36.370 -4.614 1.00 22.34 C ATOM 1217 CG LEU A 83 9.248 -36.212 -3.427 1.00 4.21 C ATOM 1218 CD1 LEU A 83 10.214 -35.061 -3.667 1.00 31.54 C ATOM 1219 CD2 LEU A 83 8.465 -35.994 -2.141 1.00 12.32 C ATOM 0 H LEU A 83 8.257 -34.022 -3.642 1.00 30.10 H new ATOM 0 HA LEU A 83 6.643 -35.441 -5.623 1.00 34.14 H new ATOM 0 HB2 LEU A 83 7.950 -37.403 -4.641 1.00 22.34 H new ATOM 0 HB3 LEU A 83 8.861 -36.199 -5.531 1.00 22.34 H new ATOM 0 HG LEU A 83 9.827 -37.130 -3.325 1.00 4.21 H new ATOM 0 HD11 LEU A 83 10.883 -34.963 -2.812 1.00 31.54 H new ATOM 0 HD12 LEU A 83 10.799 -35.258 -4.565 1.00 31.54 H new ATOM 0 HD13 LEU A 83 9.653 -34.136 -3.796 1.00 31.54 H new ATOM 0 HD21 LEU A 83 9.158 -35.884 -1.307 1.00 12.32 H new ATOM 0 HD22 LEU A 83 7.860 -35.092 -2.232 1.00 12.32 H new ATOM 0 HD23 LEU A 83 7.815 -36.850 -1.961 1.00 12.32 H new ATOM 1231 N VAL A 84 5.651 -37.239 -3.810 1.00 60.41 N ATOM 1232 CA VAL A 84 4.658 -37.861 -2.943 1.00 33.42 C ATOM 1233 C VAL A 84 5.323 -38.593 -1.782 1.00 74.34 C ATOM 1234 O VAL A 84 6.507 -38.925 -1.841 1.00 10.43 O ATOM 1235 CB VAL A 84 3.774 -38.853 -3.722 1.00 62.34 C ATOM 1236 CG1 VAL A 84 2.523 -39.194 -2.927 1.00 3.13 C ATOM 1237 CG2 VAL A 84 3.411 -38.285 -5.086 1.00 14.34 C ATOM 0 H VAL A 84 6.022 -37.853 -4.535 1.00 60.41 H new ATOM 0 HA VAL A 84 4.033 -37.058 -2.552 1.00 33.42 H new ATOM 0 HB VAL A 84 4.339 -39.773 -3.875 1.00 62.34 H new ATOM 0 HG11 VAL A 84 1.912 -39.896 -3.494 1.00 3.13 H new ATOM 0 HG12 VAL A 84 2.808 -39.646 -1.977 1.00 3.13 H new ATOM 0 HG13 VAL A 84 1.952 -38.285 -2.739 1.00 3.13 H new ATOM 0 HG21 VAL A 84 2.786 -38.999 -5.623 1.00 14.34 H new ATOM 0 HG22 VAL A 84 2.865 -37.350 -4.957 1.00 14.34 H new ATOM 0 HG23 VAL A 84 4.321 -38.098 -5.656 1.00 14.34 H new ATOM 1247 N TYR A 85 4.553 -38.843 -0.729 1.00 72.11 N ATOM 1248 CA TYR A 85 5.067 -39.535 0.447 1.00 45.42 C ATOM 1249 C TYR A 85 4.095 -40.613 0.914 1.00 73.11 C ATOM 1250 O TYR A 85 2.879 -40.465 0.791 1.00 52.43 O ATOM 1251 CB TYR A 85 5.324 -38.538 1.579 1.00 73.32 C ATOM 1252 CG TYR A 85 4.212 -38.486 2.602 1.00 10.43 C ATOM 1253 CD1 TYR A 85 4.146 -39.414 3.634 1.00 62.43 C ATOM 1254 CD2 TYR A 85 3.227 -37.508 2.538 1.00 40.15 C ATOM 1255 CE1 TYR A 85 3.132 -39.371 4.571 1.00 40.33 C ATOM 1256 CE2 TYR A 85 2.210 -37.456 3.471 1.00 40.31 C ATOM 1257 CZ TYR A 85 2.167 -38.389 4.485 1.00 33.24 C ATOM 1258 OH TYR A 85 1.154 -38.341 5.416 1.00 24.43 O ATOM 0 H TYR A 85 3.570 -38.577 -0.666 1.00 72.11 H new ATOM 0 HA TYR A 85 6.007 -40.014 0.173 1.00 45.42 H new ATOM 0 HB2 TYR A 85 6.256 -38.802 2.080 1.00 73.32 H new ATOM 0 HB3 TYR A 85 5.461 -37.544 1.153 1.00 73.32 H new ATOM 0 HD1 TYR A 85 4.901 -40.183 3.705 1.00 62.43 H new ATOM 0 HD2 TYR A 85 3.257 -36.776 1.745 1.00 40.15 H new ATOM 0 HE1 TYR A 85 3.095 -40.101 5.366 1.00 40.33 H new ATOM 0 HE2 TYR A 85 1.453 -36.689 3.407 1.00 40.31 H new ATOM 0 HH TYR A 85 0.800 -37.429 5.468 1.00 24.43 H new ATOM 1268 N VAL A 86 4.640 -41.700 1.452 1.00 54.32 N ATOM 1269 CA VAL A 86 3.822 -42.804 1.940 1.00 53.42 C ATOM 1270 C VAL A 86 3.885 -42.904 3.460 1.00 74.13 C ATOM 1271 O VAL A 86 4.954 -43.104 4.036 1.00 60.32 O ATOM 1272 CB VAL A 86 4.267 -44.145 1.329 1.00 64.33 C ATOM 1273 CG1 VAL A 86 3.426 -45.288 1.877 1.00 41.31 C ATOM 1274 CG2 VAL A 86 4.185 -44.092 -0.189 1.00 70.34 C ATOM 0 H VAL A 86 5.645 -41.839 1.561 1.00 54.32 H new ATOM 0 HA VAL A 86 2.796 -42.597 1.635 1.00 53.42 H new ATOM 0 HB VAL A 86 5.305 -44.324 1.608 1.00 64.33 H new ATOM 0 HG11 VAL A 86 3.756 -46.227 1.433 1.00 41.31 H new ATOM 0 HG12 VAL A 86 3.541 -45.338 2.960 1.00 41.31 H new ATOM 0 HG13 VAL A 86 2.378 -45.119 1.631 1.00 41.31 H new ATOM 0 HG21 VAL A 86 4.503 -45.048 -0.604 1.00 70.34 H new ATOM 0 HG22 VAL A 86 3.158 -43.889 -0.491 1.00 70.34 H new ATOM 0 HG23 VAL A 86 4.835 -43.300 -0.561 1.00 70.34 H new ATOM 1284 N VAL A 87 2.731 -42.764 4.105 1.00 72.41 N ATOM 1285 CA VAL A 87 2.654 -42.841 5.559 1.00 73.02 C ATOM 1286 C VAL A 87 3.165 -44.184 6.066 1.00 24.52 C ATOM 1287 O VAL A 87 3.262 -45.149 5.309 1.00 23.21 O ATOM 1288 CB VAL A 87 1.211 -42.633 6.056 1.00 11.41 C ATOM 1289 CG1 VAL A 87 0.812 -41.169 5.940 1.00 70.41 C ATOM 1290 CG2 VAL A 87 0.248 -43.519 5.282 1.00 74.53 C ATOM 0 H VAL A 87 1.837 -42.597 3.644 1.00 72.41 H new ATOM 0 HA VAL A 87 3.285 -42.044 5.952 1.00 73.02 H new ATOM 0 HB VAL A 87 1.163 -42.916 7.108 1.00 11.41 H new ATOM 0 HG11 VAL A 87 -0.210 -41.041 6.296 1.00 70.41 H new ATOM 0 HG12 VAL A 87 1.485 -40.560 6.543 1.00 70.41 H new ATOM 0 HG13 VAL A 87 0.875 -40.856 4.898 1.00 70.41 H new ATOM 0 HG21 VAL A 87 -0.767 -43.359 5.646 1.00 74.53 H new ATOM 0 HG22 VAL A 87 0.296 -43.270 4.222 1.00 74.53 H new ATOM 0 HG23 VAL A 87 0.523 -44.564 5.422 1.00 74.53 H new ATOM 1300 N ASN A 88 3.491 -44.239 7.354 1.00 64.45 N ATOM 1301 CA ASN A 88 3.994 -45.465 7.963 1.00 33.41 C ATOM 1302 C ASN A 88 3.516 -45.591 9.406 1.00 13.35 C ATOM 1303 O ASN A 88 4.181 -45.130 10.334 1.00 3.11 O ATOM 1304 CB ASN A 88 5.523 -45.494 7.916 1.00 12.42 C ATOM 1305 CG ASN A 88 6.058 -45.482 6.497 1.00 1.34 C ATOM 1306 OD1 ASN A 88 5.695 -46.326 5.678 1.00 53.40 O ATOM 1307 ND2 ASN A 88 6.927 -44.522 6.201 1.00 72.00 N ATOM 0 H ASN A 88 3.416 -43.449 7.995 1.00 64.45 H new ATOM 0 HA ASN A 88 3.604 -46.309 7.394 1.00 33.41 H new ATOM 0 HB2 ASN A 88 5.917 -44.634 8.457 1.00 12.42 H new ATOM 0 HB3 ASN A 88 5.883 -46.386 8.430 1.00 12.42 H new ATOM 0 HD21 ASN A 88 7.322 -44.463 5.262 1.00 72.00 H new ATOM 0 HD22 ASN A 88 7.199 -43.843 6.912 1.00 72.00 H new